Thienamycin
[CAS 64090-99-9]

Identification

• Name: Thienamycin
• Synonyms: 3-(2-Aminoethylthio)-6-(1-Hydroxyethyl)-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid; 3-(2-Aminoethylthio)-6-(1-Hydroxyethyl)-7-Keto-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid; Epithienamycin
• Molecular Formula: C₁₁H₁₆N₂O₄S
• Molecular Weight: 272.32
• CAS Registry Number: 64090-99-9
• SMILES: C(SC2=C(N1C(C(C(C)O)C1=O)C2)C(O)=O)CN
• InChI: 1S/C11H16N2O4S/c1-5(14)8-6-4-7(18-3-2-12)9(11(16)17)13(6)10(8)15/h5-6,8,14H,2-4,12H2,1H3,(H,16,17)
• InChIKey: WKDDRNSBRWANNC-UHFFFAOYSA-N

Properties

• Density: 1.503g/cm³ (Cal.)
• Boiling point: 514.045°C at 760 mmHg (Cal.)
• Flash point: 264.685°C (Cal.)

References

• (1): Philip Prathipati, Ngai Ling Ma* and Thomas H. Keller. Global Bayesian Models for the Prioritization of Antitubercular Agents, J. Chem. Inf. Model., 2008, 48 (12), pp 2362–2370